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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl Calcein Blue - ≥95% , CAS No.54696-41-2
Synonyms
54696-41-2|N-((7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)sarcosine|EINECS 259-297-2|2-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl-methylamino]acetic acid|N-((7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl)-N-methylglycine|methylcalcein blue|
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
54696-41-2 | N-((7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)methyl)sarcosine | EINECS 259-297-2 | 2-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl-methylamino]acetic acid | N-((7-hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl)-N-methylglycine | methylcalcein blue |
Specifications & Purity
≥95%
Names and Identifiers Canonical Smiles CC1=CC(=O)OC2=C1C=CC(=C2CN(C)CC(=O)O)O IUPAC Name 2-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl-methylamino]acetic acid InChIKey MGGUJKYUDQUTSV-UHFFFAOYSA-N INCHI 1S/C14H15NO5/c1-8-5-13(19)20-14-9(8)3-4-11(16)10(14)6-15(2)7-12(17)18/h3-5,16H,6-7H2,1-2H3,(H,17,18) Isomeric SMILES CC1=CC(=O)OC2=C1C=CC(=C2CN(C)CC(=O)O)O Molecular Weight 277.28 Reaxy-Rn 18099385 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18099385&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Phenylpropanoids and polyketides Class Coumarins and derivatives Subclass Hydroxycoumarins Intermediate Tree Nodes Not available Direct Parent 7-hydroxycoumarins Alternative Parents Alpha amino acids 1-benzopyrans Pyranones and derivatives Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Trialkylamines Lactones Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents 7-hydroxycoumarin - Alpha-amino acid - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Aralkylamine - Benzenoid - Pyran - Heteroaromatic compound - Amino acid - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Lactone - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 277.270 g/mol XLogP3 -1.400 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 4 Exact Mass 277.095 Da Monoisotopic Mass 277.095 Da Topological Polar Surface Area 87.100 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 433.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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